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Determination of the probability of excited singlet state generation for molecules during triplet-triplet heteroannihilation

โœ Scribed by G. A. Ketsle; M. G. Kucherenko; L. V. Levshin; Z. M. Muldakhmetov


Publisher
Springer US
Year
1987
Tongue
English
Weight
501 KB
Volume
46
Category
Article
ISSN
0021-9037

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The accuracy of the SAC-Cl (symmetry-adapted-cluster configuration-interaction) method is examined for the singlet and triplet excited states of Hz0 by comparison with the full-Cl results for the [4s2p] basis set. The SAC-C1 results for the excitation energy agree with the full-Cl results to within